CID 43395120

N-ethyl-4-methylphthalazin-1-amine

Structural Information

Molecular Formula
C11H13N3
SMILES
CCNC1=NN=C(C2=CC=CC=C21)C
InChI
InChI=1S/C11H13N3/c1-3-12-11-10-7-5-4-6-9(10)8(2)13-14-11/h4-7H,3H2,1-2H3,(H,12,14)
InChIKey
LJPOAWCOWJDEGW-UHFFFAOYSA-N
Compound name
N-ethyl-4-methylphthalazin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

187.11095 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.118226 140.5
[M+Na]+ 210.100168 149.7
[M-H]- 186.103674 142.6
[M+NH4]+ 205.144773 158.8
[M+K]+ 226.074108 145.9
[M+H-H2O]+ 170.108210 132.7
[M+HCOO]- 232.109151 162.7
[M+CH3COO]- 246.124801 187.2
[M+Na-2H]- 208.085616 150.0
[M]+ 187.11040142 141.0
[M]- 187.11149858 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe